CHEBI:2168 - 6-Acetylmorphine

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ChEBI Name 6-Acetylmorphine
ChEBI ID CHEBI:2168
Stars This entity has been manually annotated by a third party.
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Formula C19H21NO4
Net Charge 0
Average Mass 327.375
Monoisotopic Mass 327.147
InChI InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
InChIKey JJGYGPZNTOPXGV-SSTWWWIQSA-N
SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC(C)=O)ccc5O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing 6-Acetylmorphine (CHEBI:2168) is a morphinane alkaloid (CHEBI:25418)
Synonyms Sources
6-Acetylmorphine KEGG COMPOUND
6-O-Monoacetylmorphine KEGG COMPOUND
Manual Xref Database
C11781 KEGG COMPOUND
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Registry Number Type Source
2784-73-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014